2-[(3-chlorophenyl)methoxy]-6-methylaniline

C14H14ClNO — CID 43438078

IUPAC2-[(3-chlorophenyl)methoxy]-6-methylaniline
SMILESCc1cccc(OCc2cccc(Cl)c2)c1N
InChIInChI=1S/C14H14ClNO/c1-10-4-2-7-13(14(10)16)17-9-11-5-3-6-12(15)8-11/h2-8H,9,16H2,1H3
InChIKeyZTHJMPMKOSQMBN-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.81
Rot. Bonds3

About 2-[(3-chlorophenyl)methoxy]-6-methylaniline

2-[(3-chlorophenyl)methoxy]-6-methylaniline (PubChem CID 43438078) has the molecular formula C14H14ClNO and a molecular weight of 247.73 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methoxy]-6-methylaniline.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methoxy]-6-methylaniline
PubChem CID43438078
Molecular FormulaC14H14ClNO
Molecular Weight247.73 g/mol
Exact Mass247.08
IUPAC Name2-[(3-chlorophenyl)methoxy]-6-methylaniline
SMILESCc1cccc(OCc2cccc(Cl)c2)c1N
InChIInChI=1S/C14H14ClNO/c1-10-4-2-7-13(14(10)16)17-9-11-5-3-6-12(15)8-11/h2-8H,9,16H2,1H3
InChIKeyZTHJMPMKOSQMBN-UHFFFAOYSA-N
XLogP3.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methyl-6-[[3-(trifluoromethyl)phenyl]methoxy]aniline
CID 43437992
2-[(3-chlorophenyl)methoxy]-5-fluoro-4-methylaniline
CID 103591049
4-bromo-2-[(3-chlorophenyl)methoxy]-1-methylbenzene
CID 107284184
2-[(3-chlorophenyl)methoxy]phenol
CID 18947333
2-[(4-methoxyphenyl)methoxy]-6-methylaniline
CID 43381877
2-[(2-chlorophenyl)methoxy]-6-methylaniline
CID 43438077
(1S)-1-[2-[(3-chlorophenyl)methoxy]phenyl]ethanamine
CID 78936371
(1R)-1-[2-[(3-chlorophenyl)methoxy]phenyl]ethanamine
CID 63367090
1-tert-butyl-2-[(3-chlorophenyl)methoxy]benzene
CID 64765327
2-[2-(2-amino-3-methylphenoxy)ethoxy]-6-methylaniline
CID 153401307
4-[(3-chlorophenyl)methoxy]-2,5-dimethylbenzenesulfonamide
CID 43342532
2-methyl-6-(quinolin-6-ylmethoxy)aniline
CID 43438024

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methoxy]-6-methylaniline?
The IUPAC name of 2-[(3-chlorophenyl)methoxy]-6-methylaniline (CID 43438078) is 2-[(3-chlorophenyl)methoxy]-6-methylaniline.
What is the SMILES notation for 2-[(3-chlorophenyl)methoxy]-6-methylaniline?
The canonical SMILES for 2-[(3-chlorophenyl)methoxy]-6-methylaniline is Cc1cccc(OCc2cccc(Cl)c2)c1N.
What is the InChIKey of 2-[(3-chlorophenyl)methoxy]-6-methylaniline?
The InChIKey is ZTHJMPMKOSQMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c1-10-4-2-7-13(14(10)16)17-9-11-5-3-6-12(15)8-11/h2-8H,9,16H2,1H3.
What are the key properties of 2-[(3-chlorophenyl)methoxy]-6-methylaniline?
2-[(3-chlorophenyl)methoxy]-6-methylaniline has a molecular weight of 247.73 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methoxy]-6-methylaniline is sourced from PubChem (CID 43438078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).